N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide

C17H21N3O2S — CID 119940404

IUPACN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1coc(-c2ccc(C)c(NC(=O)CC3CSCCN3)c2)n1
InChIInChI=1S/C17H21N3O2S/c1-11-3-4-13(17-19-12(2)9-22-17)7-15(11)20-16(21)8-14-10-23-6-5-18-14/h3-4,7,9,14,18H,5-6,8,10H2,1-2H3,(H,20,21)
InChIKeyLOCCHGHAIGCYFV-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.99
Rot. Bonds4

About N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940404) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940404
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1coc(-c2ccc(C)c(NC(=O)CC3CSCCN3)c2)n1
InChIInChI=1S/C17H21N3O2S/c1-11-3-4-13(17-19-12(2)9-22-17)7-15(11)20-16(21)8-14-10-23-6-5-18-14/h3-4,7,9,14,18H,5-6,8,10H2,1-2H3,(H,20,21)
InChIKeyLOCCHGHAIGCYFV-UHFFFAOYSA-N
XLogP2.99
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940067
3-amino-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119342913
2-(2-methoxyethylamino)-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]acetamide;hydrochloride
CID 119817439
2,2-dimethyl-N-[2-methyl-5-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119938998
N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936303
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 166219078
N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936833
2-[2-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119163760
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119940404) is N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide is Cc1coc(-c2ccc(C)c(NC(=O)CC3CSCCN3)c2)n1.
What is the InChIKey of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is LOCCHGHAIGCYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-3-4-13(17-19-12(2)9-22-17)7-15(11)20-16(21)8-14-10-23-6-5-18-14/h3-4,7,9,14,18H,5-6,8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).